N-[2-[(E)-3-aminobut-1-enoxy]ethyl]formamide

C7H14N2O2 — CID 142554702

IUPACN-[2-[(E)-3-aminobut-1-enoxy]ethyl]formamide
SMILESCC(N)/C=C/OCCNC=O
InChIInChI=1S/C7H14N2O2/c1-7(8)2-4-11-5-3-9-6-10/h2,4,6-7H,3,5,8H2,1H3,(H,9,10)/b4-2+
InChIKeyAGPRBJHXOVTDIF-DUXPYHPUSA-N
MW158.20 g/mol
LogP-0.39
Rot. Bonds6

About N-[2-[(E)-3-aminobut-1-enoxy]ethyl]formamide

N-[2-[(E)-3-aminobut-1-enoxy]ethyl]formamide (PubChem CID 142554702) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-[2-[(E)-3-aminobut-1-enoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[(E)-3-aminobut-1-enoxy]ethyl]formamide
PubChem CID142554702
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-[2-[(E)-3-aminobut-1-enoxy]ethyl]formamide
SMILESCC(N)/C=C/OCCNC=O
InChIInChI=1S/C7H14N2O2/c1-7(8)2-4-11-5-3-9-6-10/h2,4,6-7H,3,5,8H2,1H3,(H,9,10)/b4-2+
InChIKeyAGPRBJHXOVTDIF-DUXPYHPUSA-N
XLogP-0.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-3-aminobut-1-enoxy]ethyl]formamide?
The IUPAC name of N-[2-[(E)-3-aminobut-1-enoxy]ethyl]formamide (CID 142554702) is N-[2-[(E)-3-aminobut-1-enoxy]ethyl]formamide.
What is the SMILES notation for N-[2-[(E)-3-aminobut-1-enoxy]ethyl]formamide?
The canonical SMILES for N-[2-[(E)-3-aminobut-1-enoxy]ethyl]formamide is CC(N)/C=C/OCCNC=O.
What is the InChIKey of N-[2-[(E)-3-aminobut-1-enoxy]ethyl]formamide?
The InChIKey is AGPRBJHXOVTDIF-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-7(8)2-4-11-5-3-9-6-10/h2,4,6-7H,3,5,8H2,1H3,(H,9,10)/b4-2+.
What are the key properties of N-[2-[(E)-3-aminobut-1-enoxy]ethyl]formamide?
N-[2-[(E)-3-aminobut-1-enoxy]ethyl]formamide has a molecular weight of 158.20 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-3-aminobut-1-enoxy]ethyl]formamide is sourced from PubChem (CID 142554702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).